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N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt

General Information
Catalog: BLP-011540
Molecular Formula: C2[13C]11H24N[15N]O4.CF3COOH
Molecular Weight: 398.28
Chemical Structure
N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt
Synonyms N-Acetyl-L-Val-13C5,15N-L-Leu-13C6 trifluoroacetate salt; N-acetyl-L-valyl-L-leucine-13C11,15N trifluoroacetic acid; Ac-Val-Leu-OH-13C11,15N TFA
IUPAC Name (2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(1-13C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(1-13C)methyl(1,2,3,4,5-13C5)pentanoic acid;2,2,2-trifluoroacetic acid
Related CAS 23506-41-4 (unlabelled free base)
Canonical SMILES CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C.C(=O)(C(F)(F)F)O
InChI InChI=1S/C13H24N2O4.C2HF3O2/c1-7(2)6-10(13(18)19)15-12(17)11(8(3)4)14-9(5)16;3-2(4,5)1(6)7/h7-8,10-11H,6H2,1-5H3,(H,14,16)(H,15,17)(H,18,19);(H,6,7)/t10-,11-;/m0./s1/i1+1,2+1,3+1,4+1,6+1,7+1,8+1,10+1,11+1,12+1,13+1,14+1;
InChI Key SZJGTOOSHWUJPL-KMCUBKOLSA-N
Melting Point −20°C
Purity ≥97% by CP; 99% atom 13C; 99% atom 15N
Storage Store at -20°C

N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt, a stable isotope-labeled compound with diverse research and industrial applications, stands at the forefront of scientific investigations. Here are key applications highlighted with high perplexity and burstiness:

Stable Isotope Labeling: Instrumental in stable isotope labeling experiments, this compound serves as a powerful tool for tracing intricate metabolic pathways and unraveling protein dynamics within living organisms. Researchers capitalize on its capacity to introduce labeled amino acids into proteins, facilitating detailed examinations of protein synthesis, degradation, and turnover processes. Such granular insights are pivotal for untangling the nuances of cellular regulation and delving deeper into metabolic disorders.

Mass Spectrometry: Within the realm of mass spectrometry, N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt assumes dual roles as an internal standard and a calibration reagent. Its distinct isotopic composition enables precise quantification and analysis of complex biological samples, enhancing the accuracy of proteomic and metabolomic studies. This application plays a critical role in bolstering data reliability and fostering deeper interpretations in scientific research.

Structure Elucidation: When applied in NMR spectroscopy, this compound shines in aiding the structural elucidation of peptides and proteins. Its isotopic enrichment contributes to heightened signal resolution, easing the assignment of molecular structures with enhanced clarity. This improved resolution proves especially advantageous in studying intricate protein folding dynamics, interactions, and conformational changes, offering invaluable insights into the underlying mechanisms of biological processes.

Pharmaceutical Development: Embraced by the pharmaceutical industry, N-Acetyl-L-Val-L-Leu-[13C11,15N] trifluoroacetate salt plays a pivotal role in drug discovery and development endeavors. By facilitating the labeling of candidate drug molecules or their intermediates, it becomes indispensable in evaluating drug metabolism and pharmacokinetics, crucial steps in optimizing drug efficacy and safety profiles before advancing to clinical trials. The compound's contribution to pharmaceutical research underscores its significance in propelling forward drug development practices.

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